5-[(4-chlorophenyl)carbonylamino]-2-[(3R,5R)-3,5-dimethylpiperidin-1-yl]benzoate

Systemtic Name: 5-[(4-chlorophenyl)carbonylamino]-2-[(3R,5R)-3,5-dimethylpiperidin-1-yl]benzoate Openeye Name: 5-[(4-chlorobenzoyl)amino]-2-[(3R,5R)-3,5-dimethyl-1-piperidyl]benzoate CAS Name: 5-[[(4-chlorophenyl)-oxomethyl]amino]-2-[(3R,5R)-3,5-dimethyl-1-piperidinyl]benzoate IUPAC Name: 5-[(4-chlorobenzoyl)amino]-2-[(3R,5R)-3,5-dimethylpiperidin-1-yl]benzoate Traditional Name: 5-[(4-chlorobenzoyl)amino]-2-[(3R,5R)-3,5-dimethylpiperidino]benzoate Formula: C21H22ClN2O3- MolecularWeight: 385.86398

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Descriptors Computed from Structure

Canonical SMILES:

CC1CC(CN(C1)C2=C(C=C(C=C2)NC(=O)C3=CC=C(C=C3)Cl)C(=O)[O-])C

Isomeric SMILES

C[C@@H]1C[C@H](CN(C1)C2=C(C=C(C=C2)NC(=O)C3=CC=C(C=C3)Cl)C(=O)[O-])C

InChI

InChI=1S/C21H23ClN2O3/c1-13-9-14(2)12-24(11-13)19-8-7-17(10-18(19)21(26)27)23-20(25)15-3-5-16(22)6-4-15/h3-8,10,13-14H,9,11-12H2,1-2H3,(H,23,25)(H,26,27)/p-1/t13-,14-/m1/s1